1,1,1-Trifluoromethanesulfonamide

CH₂F₃NO₂SCAS 421-85-2149.09 g/mol

Open in Covalent MOL file

Alkyl halide Sulfonamide

Properties

Molecular formula: CH₂F₃NO₂S
Molar mass: 149.09 g/mol
Exact mass: 148.9758 Da
Melting point: 117–119 °C
logP: -0.21Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Identifiers

CAS number

421-85-2

SMILES

NS(=O)(=O)C(F)(F)F

InChIKey

KAKQVSNHTBLJCH-UHFFFAOYSA-N

InChI

InChI=1S/CH2F3NO2S/c2-1(3,4)8(5,6)7/h(H2,5,6,7)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

Methanesulfonamide, 1,1,1-trifluoro-
Trifluoromethanesulfonamide
Trifluoromethylsulfonamide

Work with 1,1,1-Trifluoromethanesulfonamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Perfluorooctanesulfonamide754-91-641 % similar Trifluoromethanesulfonyl fluoride335-05-738 % similar 1-Methylcyclopropanesulfonamide669008-26-838 % similar Triflic acid1493-13-636 % similar Trifluoromethanesulfonic anhydride358-23-636 % similar Trifluoromethanesulfonyl chloride421-83-036 % similar Bistriflimide82113-65-336 % similar Lutetium(III) trifluoromethanesulfonate126857-69-032 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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